N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline

C17H24N2OS — CID 102929482

IUPACN-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline
SMILESCCOC(C)(CC)c1nc(CNc2ccc(C)cc2)cs1
InChIInChI=1S/C17H24N2OS/c1-5-17(4,20-6-2)16-19-15(12-21-16)11-18-14-9-7-13(3)8-10-14/h7-10,12,18H,5-6,11H2,1-4H3
InChIKeySTKWZAPDLVNDPQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.73
Rot. Bonds7

About N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline

N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline (PubChem CID 102929482) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline
PubChem CID102929482
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline
SMILESCCOC(C)(CC)c1nc(CNc2ccc(C)cc2)cs1
InChIInChI=1S/C17H24N2OS/c1-5-17(4,20-6-2)16-19-15(12-21-16)11-18-14-9-7-13(3)8-10-14/h7-10,12,18H,5-6,11H2,1-4H3
InChIKeySTKWZAPDLVNDPQ-UHFFFAOYSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537
1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]pentan-2-amine
CID 102929467
2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929431
4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116705109
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774720
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3,4-difluoroaniline
CID 115694591
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 115592184
1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 116774202
5-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116744515
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 115703933
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 102929510

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline?
The IUPAC name of N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline (CID 102929482) is N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline.
What is the SMILES notation for N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline?
The canonical SMILES for N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline is CCOC(C)(CC)c1nc(CNc2ccc(C)cc2)cs1.
What is the InChIKey of N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline?
The InChIKey is STKWZAPDLVNDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-17(4,20-6-2)16-19-15(12-21-16)11-18-14-9-7-13(3)8-10-14/h7-10,12,18H,5-6,11H2,1-4H3.
What are the key properties of N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline?
N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline has a molecular weight of 304.46 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline is sourced from PubChem (CID 102929482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).